Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50137611'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50137611 (3-[1-[3-(3-Dimethylamino-propyl)-4,5,6,7-tetrahydr...) Show SMILES CN(C)CCCc1c2CCCCc2[nH]c1\C=C1/C(=O)Nc2ccc(cc12)S(=O)(=O)Nc1ccccc1Cl Show InChI InChI=1S/C28H31ClN4O3S/c1-33(2)15-7-9-20-19-8-3-5-11-24(19)30-27(20)17-22-21-16-18(13-14-25(21)31-28(22)34)37(35,36)32-26-12-6-4-10-23(26)29/h4,6,10,12-14,16-17,30,32H,3,5,7-9,11,15H2,1-2H3,(H,31,34)/b22-17-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Src protein tryrosine kinase				Bioorg Med Chem Lett 14: 187-90 (2003) BindingDB Entry DOI: 10.7270/Q2HM57VG
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